1-(3-cyanophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-(3-cyanophenyl)-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-(3-cyanophenyl)urea Formula: C26H33N5O2 MolecularWeight: 447.57252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H33N5O2/c1-2-3-4-5-6-10-25(32)31-17-15-30(16-18-31)24-13-11-22(12-14-24)28-26(33)29-23-9-7-8-21(19-23)20-27/h7-9,11-14,19H,2-6,10,15-18H2,1H3,(H2,28,29,33)